RDKit 3D 46 50 0 0 0 0 0 0 0 0999 V2000 0.0925 3.8637 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 2.8507 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.5198 -1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 1.1813 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 2.2234 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 3.5516 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 -0.2527 0.5406 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8598 -0.9325 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 -1.4070 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -1.2963 -2.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4074 -1.9649 -1.3522 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -2.1188 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -2.7053 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 -2.8584 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 -2.4267 1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 -1.8402 2.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9377 -1.6814 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -1.0812 1.2475 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 -1.2836 0.0948 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2701 -0.2602 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -1.0255 0.9492 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5006 -0.4481 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 -0.8157 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6542 0.0289 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1473 1.2356 -1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8705 1.6453 -1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9805 0.7860 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 0.8941 -0.0749 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0096 4.9051 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 3.1047 -2.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 0.7672 -2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 2.0236 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 4.3536 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.2239 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -2.2870 -2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 -3.0453 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 -3.3129 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7884 -2.5450 2.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -1.5036 3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 0.1327 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 -1.9109 1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3204 -1.7078 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -0.1773 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8768 1.8246 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 2.5509 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 1.6696 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 7 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 1 1 0 18 8 2 0 17 12 1 0 28 20 1 0 27 22 1 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 1 11 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 28 46 1 0 M CHG 2 21 1 28 1 M END